Structure of PDB 7o2y Chain AAA Binding Site BS01

Receptor Information
>7o2y Chain AAA (length=166) Species: 283036 (Sander vitreus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFIKPGRCPKPAVQEDFDAARYLGVWYDIQRLPNKFQKGECATATYSLSP
GEGFSVFNRERLANGTIKSVIGSAIAEDPCEPAKLQFFHENAAPVPYWVL
STDYDNYALVYSCINLGASHAAYASIVSRQPTLPEETIKKLQGTMSSFGV
GVDTLLTTNQDAAYCS
Ligand information
Ligand IDBLA
InChIInChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-
InChIKeyGWZYPXHJIZCRAJ-SRVCBVSDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C=C)C)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O
OpenEye OEToolkits 1.5.0Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C=C)C)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O
CACTVS 3.341Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C4C)C=C
CACTVS 3.341Cc1c([nH]c(\C=C2/N=C(\C=C3/NC(=O)C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)\C=C4/NC(=O)C(=C4C)C=C
FormulaC33 H34 N4 O6
NameBILIVERDINE IX ALPHA
ChEMBL
DrugBank
ZINCZINC000103534374
PDB chain7o2y Chain AAA Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7o2y Modulation of biliverdin dynamics and spectral properties by Sandercyanin.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		F55 Q56 A63 N77 R78 E79 K87 V89 F106 H108 V129 Y142 V146
Binding residue
(residue number reindexed from 1)		F36 Q37 A44 N58 R59 E60 K68 V70 F87 H89 V110 Y123 V127
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0031409 pigment binding
Biological Process
GO:0000302 response to reactive oxygen species
GO:0006629 lipid metabolic process
GO:0006950 response to stress
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7o2y, PDBe:7o2y, PDBj:7o2y
PDBsum7o2y
PubMed35919616
UniProtA0A1D5B367

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